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Heterocyclic building blocks

Elsamitrucin

Also known as Elsamicin A, Elsamitrucina, Elsamitrucine

CAS 97068-30-9Formula C33H35NO13Molar mass 653.64 g/mol
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Elsamitrucin chemical structure, C33H35NO13, CAS 97068-30-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
97068-30-9
Formula
C33H35NO13
Molar mass
653.64 g/mol
HS code
293220
Category
Heterocyclic building blocks

What is Elsamitrucin?

Plain description, key identifiers and synonyms

Elsamicin A is a glycoside and a benzochromenone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-8-hydroxy-15-methyl-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione
CAS number
97068-30-9 CAS number cross-checked
Molecular formula
C33H35NO13
UNII
ZTV0FOB6NU
InChIKey
MGQRRMONVLMKJL-KWJIQSIXSA-N
InChI
InChI=1S/C33H35NO13/c1-11-9-10-16-19-17(11)29(38)46-25-18-14(24(36)21(20(19)25)30(39)44-16)7-6-8-15(18)45-32-28(33(4,40)27(37)13(3)43-32)47-31-22(34)26(41-5)23(35)12(2)42-31/h6-10,12-13,22-23,26-28,31-32,35-37,40H,34H2,1-5H3/t12-,13-,22-,23+,26-,27+,28+,31-,32+,33+/m1/s1
Canonical SMILES
COC1C(N)C(OC2C(Oc3cccc4c(O)c5c(=O)oc6ccc(C)c7c(=O)oc(c34)c5c67)OC(C)C(O)C2(C)O)OC(C)C1O
Isomeric SMILES
C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H](O[C@@H]([C@@H]([C@]2(C)O)O)C)OC3=CC=CC4=C3C5=C6C7=C(C=CC(=C7C(=O)O5)C)OC(=O)C6=C4O)N)OC)O

Synonyms

  • Elsamicin A
  • Elsamitrucina
  • Elsamitrucine
  • Elsamitrucinum
  • 10-O-Elsaminosylelsarosylchartarin
  • BBM 2478A
  • Antibiotic BBM 2478A
  • BMY 28090
  • SPI 28090
  • 2-Amino-2,6-dideoxy-3-O-methyl-D-galactose
  • Elsamitrucin (USAN/INN)
  • BBM-2478 A

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
653.64 g/molcalc.
Exact mass
653.2108 Dacalc.
LogP (octanol/water)
1.73calc.
Topological polar surface area
213.5 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
5calc.
Heavy atoms
47calc.
Rings
7calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
10calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=c1oc2c3c(OC4OCCCC4OC4CCCCO4)cccc3cc3c(=O)oc4cccc1c4c32

O=c1oc2c3c(OC4OCCCC4OC4CCCCO4)cccc3cc3c(=O)oc4cccc1c4c32

7 rings, 36 atoms.

5 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Elsamitrucin suppliers

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Elsamitrucin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Antibiotics, Antineoplastic

Pharmacology

Elsamitrucin is an heterocyclic antineoplastic antibiotic isolated from the bacterium Actinomycete strain J907-21. Elsamitrucin intercalates into DNA at guanine-cytosine (G-C)-rich sequences and inhibits topoisomerase I and II, resulting in single-strand breaks and inhibition of DNA replication. (NCI04)

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Elsamitrucin is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Elsamitrucin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Elsamitrucin, based on the data on this page

What is Elsamitrucin?

Elsamicin A is a glycoside and a benzochromenone.

What is the CAS number of Elsamitrucin?

The CAS registry number of Elsamitrucin is 97068-30-9.

What is the molecular formula and weight of Elsamitrucin?

The molecular formula of Elsamitrucin is C33H35NO13 and its molar mass is 653.64 g/mol.

What is Elsamitrucin used for?

Known uses and roles of Elsamitrucin include building blocks in research and laboratory and antibiotics, antineoplastic.

Is Elsamitrucin hazardous?

No GHS hazard classification for Elsamitrucin is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Elsamitrucin?

Elsamitrucin is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Elsamitrucin?

Post a free request on CompoundList and suppliers of Elsamitrucin will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Elsamitrucin?

Suppliers quote Elsamitrucin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Elsamitrucin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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